SCHEMBL9102289

SCHEMBL9102289

CCc1ccc(C(=O)N(C)[C@@H](CC(C)C)CN2CC(O)C2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 5/20 0.40
▸ HRH3 Q9Y5N1 2/20 0.40
▸ OPRD1 P41143 2/20 0.40
▸ CHRM2 P08172 1/20 0.40
▸ ADRA2B P18089 1/20 0.40
▸ ADRA2C P18825 1/20 0.40
▸ CHRM3 P20309 1/20 0.40
▸ DRD3 P35462 1/20 0.40
▸ KCNH2 Q12809 1/20 0.40
▸ SIGMAR1 Q99720 1/20 0.40
▸ MCHR1 Q99705 7/20 0.38
▸ ALDH1A1 P00352 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ S1PR1 P21453 1/20 0.34
▸ S1PR5 Q9H228 1/20 0.34
▸ TAS1R3 Q7RTX0 1/20 0.33
▸ TAS1R1 Q7RTX1 1/20 0.33
▸ OPRM1 P35372 1/20 0.33
▸ OPRK1 P41145 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9102805 0.87 HRH3 (0.40) CYP2D6HRH3CHRM2CHRM3MCHR1
SCHEMBL9101161 0.87 HRH3 (0.40) CYP2D6HRH3CHRM2CHRM3MCHR1
SCHEMBL9100721 0.85 HRH3 (0.39) HRH3OPRD1ALDH1A1HPGDTAS1R3
SCHEMBL9103752 0.82 CYP2D6 (0.41) CYP2D6HRH3OPRD1CHRM2ADRA2B
SCHEMBL9104002 0.82 HRH3 (0.36) HRH3OPRD1OPRM1OPRK1
SCHEMBL9100636 0.82 HRH3 (0.36) HRH3OPRD1OPRM1OPRK1
SCHEMBL9103641 0.78 OPRK1 (0.37) CYP2D6OPRD1OPRM1OPRK1
SCHEMBL9281798 0.78 BCL2L1 (0.38) CYP2D6HRH3MCHR1ALDH1A1
SCHEMBL9100423 0.78 BCL2L1 (0.38) CYP2D6HRH3MCHR1ALDH1A1
SCHEMBL9103264 0.77 HRH3 (0.39) CYP2D6HRH3OPRD1CHRM2CHRM3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130143858-A1 COMPOUNDS AND THEIR USE AS IKACH BLOCKERS ASTRAZENECA AB (SE) 2013-06-06 — — US disclosed
US-8361998-B2 Compounds and their use as IKACh blockers ASTRAZENECA AB 2013-01-29 — — US disclosed
US-20120142659-A1 COMPOUNDS AND THEIR USE AS IKACH BLOCKERS ASTRAZENECA AB (SE) 2012-06-07 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20130143858-A1 COMPOUNDS AND THEIR USE AS IKACH BLOCKERS KCNH2, KCNJ2, KCNH3 CYP2D6 1483/4885HRH3 942/4885OPRD1 564/4885
US-20120142659-A1 COMPOUNDS AND THEIR USE AS IKACH BLOCKERS KCNH2, KCNJ2, KCNH3 CYP2D6 1483/4885HRH3 942/4885OPRD1 564/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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